3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole

C16H11BrFN3O2 — CID 169043530

IUPAC3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole
SMILESO=[N+]([O-])c1ccc(Br)cc1-c1ccn(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H11BrFN3O2/c17-12-4-5-16(21(22)23)14(9-12)15-6-7-20(19-15)10-11-2-1-3-13(18)8-11/h1-9H,10H2
InChIKeyQOYOJJXPZPSKMI-UHFFFAOYSA-N
MW376.19 g/mol
LogP4.41
Rot. Bonds4

About 3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole

3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole (PubChem CID 169043530) has the molecular formula C16H11BrFN3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is 3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole
PubChem CID169043530
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.19 g/mol
Exact Mass375.00
IUPAC Name3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole
SMILESO=[N+]([O-])c1ccc(Br)cc1-c1ccn(Cc2cccc(F)c2)n1
InChIInChI=1S/C16H11BrFN3O2/c17-12-4-5-16(21(22)23)14(9-12)15-6-7-20(19-15)10-11-2-1-3-13(18)8-11/h1-9H,10H2
InChIKeyQOYOJJXPZPSKMI-UHFFFAOYSA-N
XLogP4.41
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(3-fluorophenyl)methyl]-2-nitroaniline
CID 24902961
N-[(3-bromophenyl)methyl]-5-fluoro-2-nitroaniline
CID 58707323
3-bromo-N-[(3-fluorophenyl)methyl]-4-nitroaniline
CID 82861306
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19558197
1-ethyl-3-(2-nitrophenyl)pyrazole
CID 22493260
6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 43330314
1-[(3-bromophenyl)methyl]-4-methyl-3-nitropyrazole
CID 163337061
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521672
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19276901
1-[(3-fluorophenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 63810003
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1-methyl-4-nitropyrazol-3-yl)methanone
CID 19279160
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole?
The IUPAC name of 3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole (CID 169043530) is 3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole is O=[N+]([O-])c1ccc(Br)cc1-c1ccn(Cc2cccc(F)c2)n1.
What is the InChIKey of 3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole?
The InChIKey is QOYOJJXPZPSKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2/c17-12-4-5-16(21(22)23)14(9-12)15-6-7-20(19-15)10-11-2-1-3-13(18)8-11/h1-9H,10H2.
What are the key properties of 3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole?
3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole has a molecular weight of 376.19 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-nitrophenyl)-1-[(3-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 169043530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).